MPQC
3.0.0-alpha
pairiter.impl.h
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//
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// pairiter.impl.h
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//
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// Copyright (C) 2007 Edward Valeev
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//
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// Author: Edward Valeev <evaleev@vt.edu>
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// Maintainer: EV
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//
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// This file is part of the SC Toolkit.
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//
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// The SC Toolkit is free software; you can redistribute it and/or modify
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// it under the terms of the GNU Library General Public License as published by
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// the Free Software Foundation; either version 2, or (at your option)
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// any later version.
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//
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// The SC Toolkit is distributed in the hope that it will be useful,
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// but WITHOUT ANY WARRANTY; without even the implied warranty of
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// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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// GNU Library General Public License for more details.
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//
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// You should have received a copy of the GNU Library General Public License
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// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
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// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
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//
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// The U.S. Government is granted a limited license as per AL 91-7.
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//
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#ifndef _chemistry_qc_mbptr12_pairiterimpl_h
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#define _chemistry_qc_mbptr12_pairiterimpl_h
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#include <util/misc/scexception.h>
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#include <math/mmisc/pairiter.h>
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namespace
sc
{
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namespace
fastpairiter {
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template
<PairSymm PSymm>
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MOPairIter<PSymm>::~MOPairIter() {
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}
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template
<PairSymm PSymm>
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void
MOPairIter<PSymm>::start
() {
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init();
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}
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template
<PairSymm PSymm>
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MOPairIter<PSymm>::operator
int()
const
{
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return
(IJ_ < nIJ_);
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}
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}
// namespace fastpairiter
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}
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#endif
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sc::fastpairiter::MOPairIter
SpinMOPairIter iterates over pairs of spinorbitals of spin case Spin12 This class differs from other ...
Definition:
pairiter.h:329
sc::fastpairiter::MOPairIter::start
void start()
Start the iteration.
Definition:
pairiter.impl.h:42
sc
Contains all MPQC code up to version 3.
Definition:
mpqcin.h:14
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